Detailed information for compound 1290966

Basic information

Technical information
  • TDR Targets ID: 1290966
  • Name: N-(4-ethoxy-2-nitrophenyl)-5-(3-fluoro-4-meth ylphenyl)-1,2-oxazole-3-carboxamide
  • MW: 385.346 | Formula: C19H16FN3O5
  • H donors: 1 H acceptors: 4 LogP: 4.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1noc(c1)c1ccc(c(c1)F)C
  • InChi: 1S/C19H16FN3O5/c1-3-27-13-6-7-15(17(9-13)23(25)26)21-19(24)16-10-18(28-22-16)12-5-4-11(2)14(20)8-12/h4-10H,3H2,1-2H3,(H,21,24)
  • InChiKey: VNABQPSVMLBRIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-ethoxy-2-nitro-phenyl)-5-(3-fluoro-4-methyl-phenyl)isoxazole-3-carboxamide
  • N-(4-ethoxy-2-nitrophenyl)-5-(3-fluoro-4-methylphenyl)-3-isoxazolecarboxamide
  • N-(4-ethoxy-2-nitro-phenyl)-5-(3-fluoro-4-methyl-phenyl)-1,2-oxazole-3-carboxamide
  • D354-0141
  • NCGC00119625-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0326 0.3824 1
Echinococcus granulosus GPCR family 2 0.0049 0.0206 0.0488
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.1575 0.3474
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0572 0.5
Loa Loa (eye worm) TAR-binding protein 0.0326 0.3824 0.851
Schistosoma mansoni hypothetical protein 0.0049 0.0206 0.0488
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0572 1
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.0572 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0028 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0178 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0028 0.0018
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0025 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.0178 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0189 0.0441
Leishmania major hypothetical protein, conserved 0.0077 0.0572 1
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0206 0.04
Loa Loa (eye worm) hypothetical protein 0.0049 0.0206 0.0407
Schistosoma mansoni hypothetical protein 0.0105 0.0942 0.2421
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0025 0.139
Schistosoma mansoni tar DNA-binding protein 0.0326 0.3824 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0326 0.3824 0.851
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.0178 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0189 0.0441
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0206 0.0488
Mycobacterium ulcerans hypothetical protein 0.0046 0.0178 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0178 0.0342
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.0178 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0377 0.4489 1
Schistosoma mansoni tar DNA-binding protein 0.0326 0.3824 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.0178 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0189 0.0441
Loa Loa (eye worm) hypothetical protein 0.0077 0.0572 0.1226
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0942 0.2049
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.0572 0.5
Echinococcus multilocularis tar DNA binding protein 0.0326 0.3824 0.3811
Loa Loa (eye worm) hypothetical protein 0.0105 0.0942 0.2054
Schistosoma mansoni tar DNA-binding protein 0.0326 0.3824 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0178 0.0342
Brugia malayi TAR-binding protein 0.0326 0.3824 0.8509
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0178 1
Loa Loa (eye worm) transcription factor SMAD2 0.0377 0.4489 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0189 0.0168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0189 0.0441
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0178 1
Brugia malayi RNA recognition motif domain containing protein 0.0326 0.3824 0.8509
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0189 0.0367
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0206 0.0186
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0178 0.0336
Schistosoma mansoni tar DNA-binding protein 0.0326 0.3824 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.1575 0.3474
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0178 0.0342
Brugia malayi hypothetical protein 0.0077 0.0572 0.1219
Schistosoma mansoni hypothetical protein 0.0049 0.0206 0.0488
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0178 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.1575 0.3469
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.0178 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0178 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0206 0.0186
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0206 0.0407
Echinococcus multilocularis GPCR, family 2 0.0049 0.0206 0.0186
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0028 0.0018
Brugia malayi MH2 domain containing protein 0.0377 0.4489 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0189 0.036
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0206 0.0488
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.1575 0.3469
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0189 0.0441
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0206 0.04
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0178 0.0336
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0178 1
Onchocerca volvulus 0.0046 0.0178 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0028 0.0018
Brugia malayi hypothetical protein 0.0049 0.0218 0.0426
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.0572 0.5
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0178 0.0336
Schistosoma mansoni hypothetical protein 0.0049 0.0206 0.0488
Loa Loa (eye worm) RNA binding protein 0.0326 0.3824 0.851
Echinococcus granulosus tar DNA binding protein 0.0326 0.3824 1
Schistosoma mansoni hypothetical protein 0.0049 0.0206 0.0488
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0572 0.5
Brugia malayi RNA binding protein 0.0326 0.3824 0.8509
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0189 0.0168
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0178 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0178 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.0178 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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